CAS RN: 52092-47-4
CAS Name: 5-chloro-2-nitropyridine
OPENEYE Name: 5-chloro-2-nitro-pyridine
IUPAC Name: 5-chloro-2-nitropyridine
SYSTEMATIC NAME: 5-chloranyl-2-nitro-pyridine
MOLECULAR FORMULA: C5H3ClN2O2
MOLECULAR WEIGHT: 158.54252
SMILES: C1=CC(=NC=C1Cl)[N+](=O)[O-]
Structure:
CAS RN: 105377-71-7
CAS Name: 1-[2,2-dimethyl-6-[(triphenylmethyl)oxymethyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]pyrimidine-2,4-dione
OPENEYE Name: 1-[2,2-dimethyl-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]pyrimidine-2,4-dione
IUPAC Name: 1-[2,2-dimethyl-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[2,2-dimethyl-6-[(triphenylmethyl)oxymethyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C31H30N2O6
MOLECULAR WEIGHT: 526.5797
SMILES: CC1(OC2C(OC(C2O1)N3C=CC(=O)NC3=O)COC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C
Structure:
CAS RN: 465-11-2
CAS Name: 5-[(3S,5R,8R,9S,10S,11R,13R,14S,17R)-3,11,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-pyranone
OPENEYE Name: 5-[(3S,5R,8R,9S,10S,11R,13R,14S,17R)-3,11,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
IUPAC Name: 5-[(3S,5R,8R,9S,10S,11R,13R,14S,17R)-3,11,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
SYSTEMATIC NAME: 5-[(3S,5R,8R,9S,10S,11R,13R,14S,17R)-10,13-dimethyl-3,11,14-tris(oxidanyl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
MOLECULAR FORMULA: C24H34O5
MOLECULAR WEIGHT: 402.52376
SMILES: C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2[C@@H](C[C@]4([C@@]3(CC[C@@H]4C5=COC(=O)C=C5)O)C)O)O
Structure:
CAS RN: 15961-60-1
CAS Name: acetic acid [4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl ester
OPENEYE Name: [4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl acetate
IUPAC Name: [4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl acetate
SYSTEMATIC NAME: [4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl ethanoate
MOLECULAR FORMULA: C15H19N5O5
MOLECULAR WEIGHT: 349.34186
SMILES: CC(=O)OCC1C2C(C(O1)N3C=NC4=C3N=CN=C4N)OC(O2)(C)C
Structure:
CAS RN: 15888-38-7
CAS Name: acetic acid [4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl ester
OPENEYE Name: [4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl acetate
IUPAC Name: [4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl acetate
SYSTEMATIC NAME: [4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl ethanoate
MOLECULAR FORMULA: C15H19N5O5
MOLECULAR WEIGHT: 349.34186
SMILES: CC(=O)OCC1C2C(C(O1)N3C=NC4=C3N=CN=C4N)OC(O2)(C)C
Structure:
CAS RN: 1226-74-0
CAS Name: 3-(4-hydroxyphenyl)-2-(4-nitrophenyl)-2-propenenitrile
OPENEYE Name: 3-(4-hydroxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile
IUPAC Name: 3-(4-hydroxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile
SYSTEMATIC NAME: 3-(4-hydroxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile
MOLECULAR FORMULA: C15H10N2O3
MOLECULAR WEIGHT: 266.2515
SMILES: C1=CC(=CC=C1C=C(C#N)C2=CC=C(C=C2)[N+](=O)[O-])O
Structure:
CAS RN: 25995-17-9
CAS Name: methanesulfonic acid [(2S,3S)-2,3-bis(methanesulfonamido)-4-methylsulfonyloxybutyl] ester
OPENEYE Name: [(2S,3S)-2,3-bis(methanesulfonamido)-4-methylsulfonyloxy-butyl] methanesulfonate
IUPAC Name: [(2S,3S)-2,3-bis(methanesulfonamido)-4-methylsulfonyloxybutyl] methanesulfonate
SYSTEMATIC NAME: [(2S,3S)-2,3-bis(methylsulfonylamino)-4-methylsulfonyloxy-butyl] methanesulfonate
MOLECULAR FORMULA: C8H20N2O10S4
MOLECULAR WEIGHT: 432.5118
SMILES: CS(=O)(=O)N[C@H](COS(=O)(=O)C)[C@@H](COS(=O)(=O)C)NS(=O)(=O)C
Structure:
CAS RN: 58404-89-0
CAS Name: (3,5-dipropyl-1,3,5,7-tetrahydrooxazolo[3,4-c]oxazol-7a-yl)methanol
OPENEYE Name: (3,5-dipropyl-1,3,5,7-tetrahydrooxazolo[3,4-c]oxazol-7a-yl)methanol
IUPAC Name: (3,5-dipropyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl)methanol
SYSTEMATIC NAME: (3,5-dipropyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl)methanol
MOLECULAR FORMULA: C12H23NO3
MOLECULAR WEIGHT: 229.31592
SMILES: CCCC1N2C(OCC2(CO1)CO)CCC
Structure:
CAS RN: 6698-32-4
CAS Name: thiazolo[5,4-d]pyrimidine-2,7-diamine
OPENEYE Name: thiazolo[5,4-d]pyrimidine-2,7-diamine
IUPAC Name: [1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
SYSTEMATIC NAME: [1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
MOLECULAR FORMULA: C5H5N5S
MOLECULAR WEIGHT: 167.1917
SMILES: C1=NC(=C2C(=N1)SC(=N2)N)N
Structure:
CAS RN: 1108-68-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C26H34O7
MOLECULAR WEIGHT: 458.54396
SMILES: CC(=O)O[C@@H]1[C@@H]([C@]2(CC[C@H]3[C@H]([C@@]24[C@@H]1O4)CC[C@]5([C@@]3(CC[C@@H](C5)O)C)O)C)C6=COC(=O)C=C6
Structure:
CAS RN: 20256-89-7
CAS Name: 4-[(4-methoxyphenyl)iminomethyl]benzonitrile
OPENEYE Name: 4-[(4-methoxyphenyl)iminomethyl]benzonitrile
IUPAC Name: 4-[(4-methoxyphenyl)iminomethyl]benzonitrile
SYSTEMATIC NAME: 4-[(4-methoxyphenyl)iminomethyl]benzenecarbonitrile
MOLECULAR FORMULA: C15H12N2O
MOLECULAR WEIGHT: 236.26858
SMILES: COC1=CC=C(C=C1)N=CC2=CC=C(C=C2)C#N
Structure:
CAS RN: 61908-15-4
CAS Name: 5-nitrosopyrimidine-4,6-diamine
OPENEYE Name: 5-nitrosopyrimidine-4,6-diamine
IUPAC Name: 5-nitrosopyrimidine-4,6-diamine
SYSTEMATIC NAME: 5-nitrosopyrimidine-4,6-diamine
MOLECULAR FORMULA: C4H5N5O
MOLECULAR WEIGHT: 139.1154
SMILES: C1=NC(=C(C(=N1)N)N=O)N
Structure:
CAS RN: 4594-45-0
CAS Name: 5-(6-chloro-9-purinyl)-2-(hydroxymethyl)-3-oxolanol
OPENEYE Name: 5-(6-chloropurin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol
IUPAC Name: 5-(6-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
SYSTEMATIC NAME: 5-(6-chloranylpurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
MOLECULAR FORMULA: C10H11ClN4O3
MOLECULAR WEIGHT: 270.67234
SMILES: C1C(C(OC1N2C=NC3=C2N=CN=C3Cl)CO)O
Structure:
CAS RN: 42413-03-6
CAS Name: 3-chloro-4-methylbenzenesulfonyl chloride
OPENEYE Name: 3-chloro-4-methyl-benzenesulfonyl chloride
IUPAC Name: 3-chloro-4-methylbenzenesulfonyl chloride
SYSTEMATIC NAME: 3-chloranyl-4-methyl-benzenesulfonyl chloride
MOLECULAR FORMULA: C7H6Cl2O2S
MOLECULAR WEIGHT: 225.09234
SMILES: CC1=C(C=C(C=C1)S(=O)(=O)Cl)Cl
Structure:
CAS RN: 520-55-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H25NO7
MOLECULAR WEIGHT: 367.3936
SMILES: C[C@H]1C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]([C@@]1(C)OC(=O)C)(C)O
Structure:
CAS RN: 13639-49-1
CAS Name: acetic acid [4,5-diacetyloxy-6-(acetylthio)-3-oxanyl] ester
OPENEYE Name: (4,5-diacetoxy-6-acetylsulfanyl-tetrahydropyran-3-yl) acetate
IUPAC Name: (4,5-diacetyloxy-6-acetylsulfanyloxan-3-yl) acetate
SYSTEMATIC NAME: (4,5-diacetyloxy-6-ethanoylsulfanyl-oxan-3-yl) ethanoate
MOLECULAR FORMULA: C13H18O8S
MOLECULAR WEIGHT: 334.34222
SMILES: CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)SC(=O)C
Structure:
CAS RN: 5791-05-9
CAS Name: (4R)-2,2-dimethyl-1,3-dioxolane-4-carboxaldehyde
OPENEYE Name: (4R)-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
IUPAC Name: (4R)-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
SYSTEMATIC NAME: (4R)-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
MOLECULAR FORMULA: C6H10O3
MOLECULAR WEIGHT: 130.1418
SMILES: CC1(OC[C@@H](O1)C=O)C
Structure:
CAS RN: 15186-48-8
CAS Name: (4R)-2,2-dimethyl-1,3-dioxolane-4-carboxaldehyde
OPENEYE Name: (4R)-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
IUPAC Name: (4R)-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
SYSTEMATIC NAME: (4R)-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
MOLECULAR FORMULA: C6H10O3
MOLECULAR WEIGHT: 130.1418
SMILES: CC1(OC[C@@H](O1)C=O)C
Structure:
CAS RN: 18858-06-5
CAS Name: 5-chloro-2-methylbenzenethiol
OPENEYE Name: 5-chloro-2-methyl-benzenethiol
IUPAC Name: 5-chloro-2-methylbenzenethiol
SYSTEMATIC NAME: 5-chloranyl-2-methyl-benzenethiol
MOLECULAR FORMULA: C7H7ClS
MOLECULAR WEIGHT: 158.64848
SMILES: CC1=C(C=C(C=C1)Cl)S
Structure:
CAS RN: 3947-67-9
CAS Name: 10-[4-(dimethylamino)phenyl]-2,8-dihydroxy-3,7-di(undecyl)phenoxazine-1,4,6,9-tetrone
OPENEYE Name: 10-[4-(dimethylamino)phenyl]-2,8-dihydroxy-3,7-di(undecyl)phenoxazine-1,4,6,9-tetrone
IUPAC Name: 10-[4-(dimethylamino)phenyl]-2,8-dihydroxy-3,7-di(undecyl)phenoxazine-1,4,6,9-tetrone
SYSTEMATIC NAME: 10-[4-(dimethylamino)phenyl]-2,8-bis(oxidanyl)-3,7-di(undecyl)phenoxazine-1,4,6,9-tetrone
MOLECULAR FORMULA: C42H58N2O7
MOLECULAR WEIGHT: 702.91912
SMILES: CCCCCCCCCCCC1=C(C(=O)C2=C(C1=O)OC3=C(N2C4=CC=C(C=C4)N(C)C)C(=O)C(=C(C3=O)CCCCCCCCCCC)O)O
Structure:
CAS RN: 395-12-0
CAS Name: (3R,5S,8R,9S,10S,13S,14S,17S)-3-methoxy-10,13,17-trimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-ol
OPENEYE Name: (3R,5S,8R,9S,10S,13S,14S,17S)-3-methoxy-10,13,17-trimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-ol
IUPAC Name: (3R,5S,8R,9S,10S,13S,14S,17S)-3-methoxy-10,13,17-trimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-ol
SYSTEMATIC NAME: (3R,5S,8R,9S,10S,13S,14S,17S)-3-methoxy-10,13,17-trimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-ol
MOLECULAR FORMULA: C21H36O2
MOLECULAR WEIGHT: 320.50934
SMILES: C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C)O)C)OC
Structure:
CAS RN: 13282-82-1
CAS Name: (4aS,4bS,10aS,10bR,11S,12aS)-10b-fluoro-11-hydroxy-10a,12a-dimethyl-3,4,4a,4b,5,6,11,12-octahydronaphtho[2,1-f][1]benzopyran-2,8-dione
OPENEYE Name: (4aS,4bS,10aS,10bR,11S,12aS)-10b-fluoro-11-hydroxy-10a,12a-dimethyl-3,4,4a,4b,5,6,11,12-octahydronaphtho[2,1-f]chromene-2,8-dione
IUPAC Name: (4aS,4bS,10aS,10bR,11S,12aS)-10b-fluoro-11-hydroxy-10a,12a-dimethyl-3,4,4a,4b,5,6,11,12-octahydronaphtho[2,1-f]chromene-2,8-dione
SYSTEMATIC NAME: (4aS,4bS,10aS,10bR,11S,12aS)-10b-fluoranyl-10a,12a-dimethyl-11-oxidanyl-3,4,4a,4b,5,6,11,12-octahydronaphtho[2,1-f]chromene-2,8-dione
MOLECULAR FORMULA: C19H23FO4
MOLECULAR WEIGHT: 334.381923
SMILES: C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1CCC(=O)O2)CCC4=CC(=O)C=C[C@@]43C)F)O
Structure:
CAS RN: 78448-09-6
CAS Name: (3S,8R,9S,10R,13S,14S,16S,17R)-3-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-16,17-diol
OPENEYE Name: (3S,8R,9S,10R,13S,14S,16S,17R)-3-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-16,17-diol
IUPAC Name: (3S,8R,9S,10R,13S,14S,16S,17R)-3-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-16,17-diol
SYSTEMATIC NAME: (3S,8R,9S,10R,13S,14S,16S,17R)-3-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-16,17-diol
MOLECULAR FORMULA: C20H32O3
MOLECULAR WEIGHT: 320.46628
SMILES: C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C[C@@H]([C@@H]4O)O)C)OC
Structure:
CAS RN: 3398-11-6
CAS Name: (7R,8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,7,17-triol
OPENEYE Name: (7R,8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,7,17-triol
IUPAC Name: (7R,8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,7,17-triol
SYSTEMATIC NAME: (7R,8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,7,17-triol
MOLECULAR FORMULA: C18H24O3
MOLECULAR WEIGHT: 288.38136
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)O
Structure:
CAS RN: 53-44-1
CAS Name: 3-[[(8R,9S,13S,14S,17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]propanenitrile
OPENEYE Name: 3-[[(8R,9S,13S,14S,17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]propanenitrile
IUPAC Name: 3-[[(8R,9S,13S,14S,17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]propanenitrile
SYSTEMATIC NAME: 3-[[(8R,9S,13S,14S,17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]propanenitrile
MOLECULAR FORMULA: C22H29NO2
MOLECULAR WEIGHT: 339.47116
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OCCC#N)CCC4=C3C=CC(=C4)OC
Structure:
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